2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate

C12H17ClN2O3 — CID 10802184

IUPAC2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1cc(N)c(Cl)cc1C(=O)OCCN(C)C
InChIInChI=1S/C12H17ClN2O3/c1-15(2)4-5-18-12(16)8-6-9(13)10(14)7-11(8)17-3/h6-7H,4-5,14H2,1-3H3
InChIKeyUOWGPMQNBPVXBC-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.65
Rot. Bonds5

About 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate

2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate (PubChem CID 10802184) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
PubChem CID10802184
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1cc(N)c(Cl)cc1C(=O)OCCN(C)C
InChIInChI=1S/C12H17ClN2O3/c1-15(2)4-5-18-12(16)8-6-9(13)10(14)7-11(8)17-3/h6-7H,4-5,14H2,1-3H3
InChIKeyUOWGPMQNBPVXBC-UHFFFAOYSA-N
XLogP1.65
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethylbutyl 4-amino-5-chloro-2-methoxybenzoate
CID 60733590
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
2-(1,3,5-trimethylpiperidin-1-ium-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 22361889
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
[2-(4-chlorophenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2584162
1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidine-4-carboxylic acid
CID 11696133
(2-oxo-2-pyrrolidin-1-ylethyl) 4-amino-5-chloro-2-methoxybenzoate
CID 2371999
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate (CID 10802184) is 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate is COc1cc(N)c(Cl)cc1C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate?
The InChIKey is UOWGPMQNBPVXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-15(2)4-5-18-12(16)8-6-9(13)10(14)7-11(8)17-3/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate?
2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate has a molecular weight of 272.73 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 10802184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).